Name: 4-methyl-pentanal
SMILES:
CC(C)CCC=OMolecular Processing
Molecular formula
C6H12O
Molecular weight
100.16
Exact mass
100.0888
XLogP
1.62
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
30.14
Supplementary Information
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